|
CHARGE=0 rep739sys009g17pt100ab H=2.193+rep739sys009g17pt100a+rep739sys009g17pt100b HR=NCIA HWT=10 H -1.00458420 +0 -0.48631303 +0 1.93896087 +0 H -0.43058420 +1 0.92568697 +0 1.99096087 +0 O -0.51858420 +0 0.15868697 +1 1.41996087 +0 C 0.97124296 +0 -0.29720074 +0 -2.65940806 +0 H 1.33450107 +0 -0.40931651 +0 -3.65504334 +0 N 0.58057958 +0 -0.17765758 +0 -1.58971346 +0